(2-methoxy-6-methyl-5-phenylmethoxy-3-sulfooxy-oxan-4-yl) hydrogen sulfate

Systemtic Name: (2-methoxy-6-methyl-5-phenylmethoxy-3-sulfooxy-oxan-4-yl) hydrogen sulfate Openeye Name: (5-benzyloxy-2-methoxy-6-methyl-3-sulfooxy-tetrahydropyran-4-yl) hydrogen sulfate CAS Name: sulfuric acid (2-methoxy-6-methyl-5-phenylmethoxy-3-sulfooxy-4-oxanyl) ester IUPAC Name: (2-methoxy-6-methyl-5-phenylmethoxy-3-sulfooxyoxan-4-yl) hydrogen sulfate Traditional Name: sulfuric acid (5-benzoxy-2-methoxy-6-methyl-3-sulfoxy-tetrahydropyran-4-yl) ester Formula: C14H20O11S2 MolecularWeight: 428.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CC1C(C(C(C(O1)OC)OS(=O)(=O)O)OS(=O)(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H20O11S2/c1-9-11(22-8-10-6-4-3-5-7-10)12(24-26(15,16)17)13(14(21-2)23-9)25-27(18,19)20/h3-7,9,11-14H,8H2,1-2H3,(H,15,16,17)(H,18,19,20)